1WWP
Crystal structure of ttk003001694 from Thermus Thermophilus HB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-06 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.9600, 0.9790, 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.380, 61.420, 60.780 |
| Unit cell angles | 90.00, 122.00, 90.00 |
Refinement procedure
| Resolution | 44.010 - 2.110 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.27000 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 13063 | |
| <I/σ(I)> | 13.5 | 5.9 |
| Completeness [%] | 97.5 | 92.4 |
| Redundancy | 4.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG6000, Lithium Chloride, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
